5-fluoro-N,N,2-trimethylbenzenesulfonamide

C9H12FNO2S — CID 16753949

IUPAC5-fluoro-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3
InChIKeyNHOBYURJJKNOFU-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.38
Rot. Bonds2

About 5-fluoro-N,N,2-trimethylbenzenesulfonamide

5-fluoro-N,N,2-trimethylbenzenesulfonamide (PubChem CID 16753949) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-fluoro-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N,2-trimethylbenzenesulfonamide
PubChem CID16753949
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name5-fluoro-N,N,2-trimethylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3
InChIKeyNHOBYURJJKNOFU-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbenzenesulfonamide
CID 6924
N-Methyl-p-toluenesulfonamide
CID 12543
2-(Trifluoromethyl)benzenesulfonamide
CID 2778018
Benzenesulfonamide, N,N,4-trimethyl-
CID 11743
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N-Ethyl-o-toluenesulfonamide
CID 14110
2-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 11010480
Benzenesulfonyl isocyanate, 2-(trifluoromethyl)-
CID 11817579
2-cyano-N,N-dimethylbenzenesulfonamide
CID 697873
2,5-Dimethylbenzenesulfonamide
CID 222871
50487-72-4
CID 351447
1-(4-Methylbenzenesulfonyl)aziridine
CID 561274

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N,N,2-trimethylbenzenesulfonamide (CID 16753949) is 5-fluoro-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N,N,2-trimethylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-fluoro-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is NHOBYURJJKNOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)14(12,13)11(2)3/h4-6H,1-3H3.
What are the key properties of 5-fluoro-N,N,2-trimethylbenzenesulfonamide?
5-fluoro-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 16753949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).